SCHEMBL7943447

SCHEMBL7943447

CN1CCN(c2cccc3c2cc(C(=O)O)n3C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 3/20 0.47
HTR2A P28223 2/20 0.47
HTR6 P50406 2/20 0.47
MAPT P10636 3/20 0.43
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.40
HTR2C P28335 1/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7943441 0.82 RXFP1 (0.44) HTR1AMAPTESR1SMN1; SMN2HTR1D
SCHEMBL3300361 0.81 CCR2 (0.52) HTR1ADRD2HTR2AHTR6KDM4E
SCHEMBL7943338 0.76 RXFP1 (0.59) MAPTSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL3295174 0.74 F10 (0.49) HTR1ADRD2HTR2AHTR6ESR1
SCHEMBL2276306 0.74 SLC9A1 (0.64) MCL1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL2326927 0.74 MCL1 (0.57) MCL1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL19343561 0.73 MCL1 (0.56) MCL1SMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL2324550 0.73 MCL1 (0.56) MCL1MAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL3306325 0.73 MCL1 (0.56) MCL1SMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL7812700 0.72 HTR1A (0.57) HTR1AMAPTHTR1DHTR1BHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed