SCHEMBL3855264

SCHEMBL3855264

Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2nccc(N3CCC(Oc4ccccn4)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RET P07949 17/20 0.37
RIPK1 Q13546 1/20 0.33

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
SCHEMBL3854358 0.89 CHRM4 (0.41) CHRM4
SCHEMBL3855265 0.86 CHRM4 (0.36) CHRM4PDE3BPDE3APDE10ARET
SCHEMBL3847448 0.86 CHRM4 (0.38) CHRM4PDE3BPDE3APDE10A
SCHEMBL3849596 0.85 CHRM4 (0.44) CHRM4
SCHEMBL3848852 0.83 ALDH1A1 (0.43)
SCHEMBL3846957 0.82 NCF1 (0.48)
SCHEMBL3850517 0.81 CYP46A1 (0.42)
SCHEMBL3850033 0.81 NCF1 (0.36)
SCHEMBL3846323 0.81 NCF1 (0.33) CHRM4
SCHEMBL14145430 0.81 CHRM4 (0.46) CHRM4PDE3BPDE3APDE10ARET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed