SCHEMBL9181526

SCHEMBL9181526

c1ccc(C(c2ccccc2)N2CCN(CCCCc3cccc4ncccc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.61
▸ MC4R P32245 1/20 0.53
▸ DRD2 P14416 4/20 0.49
▸ DRD3 P35462 4/20 0.49
▸ DRD4 P21917 3/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47

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
SCHEMBL9183697 0.84 P2RX7 (0.59) P2RX7
SCHEMBL9181173 0.83 P2RX7 (0.57) P2RX7DRD3
SCHEMBL9180280 0.80 MEN1 (0.60) P2RX7DRD2DRD3HTR7
SCHEMBL9187308 0.75 LMNA (0.56) P2RX7
SCHEMBL16226519 0.75 HDAC4 (0.69) P2RX7DRD2DRD3DRD4
SCHEMBL9184019 0.73 LMNA (0.47) P2RX7
SCHEMBL9633550 0.73 HTR1A (0.64) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL9183346 0.73 ABCB1 (0.74) —
SCHEMBL28309625 0.72 CYP19A1 (0.57) —
SCHEMBL9186320 0.72 ABCB1 (0.59) P2RX7

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
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 — — US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 — — EP disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 — — US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 — — EP disclosed
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