SCHEMBL8337662

SCHEMBL8337662

Cc1nc2cc(F)ccc2n1CCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.51
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
ACKR3 P25106 4/20 0.43
SQOR Q9Y6N5 1/20 0.42
CNR2 P34972 1/20 0.42
TLR8 Q9NR97 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 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
SCHEMBL6839501 0.77 HTR1A (0.48)
SCHEMBL8340386 0.75 HTR7 (0.57) LMNAHRH1
SCHEMBL8336417 0.75 HTR3E (0.53)
SCHEMBL8336244 0.74 SIGMAR1 (0.52)
SCHEMBL8788970 0.74 MCHR1 (0.48)
SCHEMBL13937094 0.74 HRH3 (0.76) HRH2HRH1
SCHEMBL9053834 0.73 DRD2 (0.50) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL20873847 0.73 USP2 (0.53) ACKR3TLR8EPHX2CHRM2CHRM4
SCHEMBL22965270 0.73 TBXA2R (0.50) MAPT
SCHEMBL8336656 0.72 LMNA (0.44) LMNATP53MAPT

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-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO disclosed