SCHEMBL9847602

SCHEMBL9847602

Cc1ccc2c(c1)N(Cc1ccccc1)C(C)(C)CC2C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
AMPD2 Q01433 7/20 0.43
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL25244280 0.90 DRD2 (0.46) DRD2DRD4AMPD2KDM4ECRHBP
SCHEMBL25793376 0.90 DRD2 (0.46) DRD2DRD4AMPD2KDM4ECRHBP
SCHEMBL25329514 0.90 DRD2 (0.46) DRD2DRD4AMPD2KDM4ECRHBP
SCHEMBL11783355 0.87 DRD2 (0.46) DRD2DRD4AMPD2LMNANPSR1
SCHEMBL9636472 0.85 AMPD2 (0.42) DRD2DRD4AMPD2KDM4ELMNA
SCHEMBL9073520 0.85 AMPD2 (0.49) DRD2DRD4AMPD2CRHBPCRHR2
SCHEMBL11783262 0.84 AMPD2 (0.50) DRD2DRD4AMPD2KDM4ECRHBP
SCHEMBL31476440 0.84 AMPD2 (0.39) DRD2DRD4AMPD2CRHBPCRHR2
SCHEMBL11782496 0.84 SIGMAR1 (0.45) DRD2DRD4AMPD2ALDH1A1MAPT
SCHEMBL8942319 0.82 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434611-A2 Azo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed