SCHEMBL8339771

SCHEMBL8339771

Cc1nc2cc(F)ccc2n1CCC(C)(Cc1ccc(F)cc1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.44
HTR3A P46098 1/20 0.39
CCR3 P51677 1/20 0.39
HTR6 P50406 1/20 0.38
TBXA2R P21731 4/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
DHFR P00374 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8335037 0.76 SOS1 (0.44) SOS1HTR3ACCR3HTR6SLC6A2
SCHEMBL8339768 0.74 KMT2A (0.41) HTR3ADHFRMEN1KMT2A
SCHEMBL8339061 0.68 KMT2A (0.49) MEN1KMT2A
SCHEMBL10641373 0.66 KDM4E (0.64) KMT2A
SCHEMBL20206661 0.66 TDP1 (0.48) KMT2A
SCHEMBL8339799 0.66 KMT2A (0.57) KMT2A
SCHEMBL6839501 0.65 HTR1A (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL8788970 0.65 MCHR1 (0.48) CCR3SLC6A4
SCHEMBL8336417 0.64 HTR3E (0.53) HTR3ACCR3DHFR
SCHEMBL8337660 0.64 DRD4 (0.43) DHFRMEN1KMT2A

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 1 patent. 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