SCHEMBL7436780

SCHEMBL7436780

COc1cc(C(C)C)ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
CACNA1B Q00975 2/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
HTT P42858 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7443871 0.95 KCNH2 (0.52) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7439507 0.92 CACNA1A (0.48) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7444222 0.90 LMNA (0.64) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7915427 0.89 NPSR1 (0.47) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7921522 0.87 KMT2A (0.56) TACR1LMNAMAPTMEN1KMT2A
SCHEMBL7924041 0.87 ATM (0.47) TACR1LMNACHRM2ADORA3CHRM1
SCHEMBL7448627 0.87 LMNA (0.50) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL195121 0.86 LMNA (0.60) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7448753 0.86 DRD2 (0.62) TACR1CACNA1BLMNACHRM2ADORA3
SCHEMBL7440957 0.86 ADORA3 (0.47) TACR1CACNA1BLMNACHRM2ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP claimed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP claimed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO claimed
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed