SCHEMBL3404973

SCHEMBL3404973

Cc1ccc(F)c(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
PIM1 P11309 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
SCHEMBL3402611 0.94 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405439 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405642 0.91 HTR2C (0.50) HTR2CALDH1A1LMNATHRATHRB
SCHEMBL3402415 0.91 HTR2C (0.50) HTR2CALDH1A1LMNATHRATHRB
SCHEMBL3402305 0.90 HTR2C (0.48) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3400300 0.89 HTR2C (0.56) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3402597 0.88 HTR2C (0.46) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405361 0.86 RAB9A (0.53) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3401249 0.85 HTR2C (0.50) HTR2CALDH1A1LMNATHRATHRB
SCHEMBL3405840 0.85 HTR2C (0.50) HTR2CALDH1A1LMNATHRATHRB

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed