SCHEMBL11504469

SCHEMBL11504469

Cc1cc(Cl)ccc1N1CN(c2ccc(Cl)cc2C)CN(c2ccc(Cl)cc2C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ AVPR1A P37288 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL28189346 0.82 ALDH1A1 (0.61) AKR1C3DRD2DRD4POLBALDH1A1
SCHEMBL651717 0.79 HTR3A (0.61) AKR1C3THRBCYP3A4HTT
Hydrochloric Acid SCHEMBL6531534 0.77 HTR3A (0.59) AKR1C3THRBCYP3A4HTT
Hydrochloric Acid SCHEMBL30609685 0.77 HTR3A (0.59) AKR1C3THRBCYP3A4HTT
SCHEMBL11503790 0.77 ALDH1A1 (0.50) DRD2DRD4POLBNPSR1ALDH1A1
SCHEMBL30458020 0.76 KMT2A (0.56) AKR1C3DRD2DRD4POLBNPSR1
SCHEMBL28512070 0.76 AKR1C3 (0.43) AKR1C3DRD2DRD4POLBNPSR1
SCHEMBL17651391 0.76 KMT2A (0.56) AKR1C3DRD2DRD4POLBNPSR1
SCHEMBL21590339 0.74 AKR1C3 (0.47) AKR1C3DRD2DRD4POLBNPSR1
SCHEMBL17542945 0.74 AKR1C3 (0.50) AKR1C3DRD2DRD4POLBNPSR1

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-4159328-A INSECTICIDES, MITICIDES NIHON NOHYAKU CO., LTD. (JP) 1979-06-26 — — US disclosed
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