SCHEMBL9056673

SCHEMBL9056673

CN1CCc2cc3c(cc21)CCN3C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.57
HTR2A P28223 10/20 0.57
RIPK1 Q13546 1/20 0.55
LMNA P02545 3/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GRM5 P41594 1/20 0.51
HTR2B P41595 4/20 0.51
CYP1A2 P05177 4/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL14458188 0.84 NPC1 (0.67) HTR2CHTR2ARIPK1LMNAUSP2
SCHEMBL9053646 0.83 HTR2C (0.67) HTR2CHTR2ARIPK1LMNAUSP2
SCHEMBL2481583 0.83 HTR2A (0.64) HTR2CHTR2ARIPK1LMNAUSP2
SCHEMBL9062442 0.83 GAA (0.59) HTR2CHTR2AGAASMN1; SMN2HTR2B
SCHEMBL9051767 0.82 ALDH1A1 (0.64) HTR2CHTR2ALMNAPKMTSHR
SCHEMBL9053122 0.81 MEN1 (0.52) HTR2CHTR2ALMNAUSP2PKM
SCHEMBL9052316 0.81 GRM5 (0.52) HTR2CHTR2AUSP2PKMTSHR
SCHEMBL6032387 0.81 MEN1 (0.60) HTR2CHTR2ARIPK1LMNAUSP2
SCHEMBL9052538 0.79 ATM (0.64) HTR2CLMNAGAAPKMHTT
SCHEMBL9053892 0.79 POLB (0.59) LMNAUSP2PKMTSHRSMN1; SMN2

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
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP claimed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO claimed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed