SCHEMBL9181122

SCHEMBL9181122

OC(CSc1cccc2ncccc12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.49
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL10434552 0.82 ALDH1A1 (0.43) ABCB1KMT2AMEN1OPRM1OPRD1
SCHEMBL9183346 0.80 ABCB1 (0.74) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9181681 0.79 ABCB1 (0.49) ABCB1KMT2AMEN1OPRM1OPRD1
SCHEMBL9181583 0.79 ABCB1 (0.55) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9180057 0.78 KMT2A (0.49) ABCB1KMT2AMEN1OPRM1OPRD1
SCHEMBL9184024 0.77 ABCB1 (0.69) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9183180 0.77 ABCB1 (0.69) ABCB1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7334574 0.77 MAPT (0.53) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL8536837 0.76 ABCB1 (0.52) ABCB1KMT2AMEN1ALDH1A1DRD2
SCHEMBL9142116 0.76 KMT2A (0.64) KMT2AMEN1OPRM1OPRD1IGF1R

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 5 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-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 — — US 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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