SCHEMBL7085098

SCHEMBL7085098

CCC(N1CCNC(c2ccc(Cc3ccccc3)cc2)C1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ PLD1 Q13393 3/20 0.37
▸ PLD2 O14939 2/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ OPRM1 P35372 7/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ P2RX7 Q99572 3/20 0.35
▸ MLNR O43193 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL7085096 0.79 POLB (0.44) POLBPLD1PLD2MEN1CYP1A2
SCHEMBL8524117 0.72 PLD2 (0.36) PLD1PLD2OPRM1OPRL1CHRM1
SCHEMBL7081245 0.70 TAAR1 (0.40) P2RX7LMNACYP2D6
SCHEMBL9784844 0.69 GSK3B (0.35) —
SCHEMBL10423416 0.67 POLB (0.42) POLBPLD1PLD2PAX8MEN1
SCHEMBL17103086 0.66 SLC6A2 (0.36) DRD2SLC6A2SLC6A4
SCHEMBL8470458 0.66 SLC6A2 (0.36) POLBMEN1KMT2ALMNADRD2
SCHEMBL14622076 0.64 POLB (0.67) POLBMEN1CYP1A2KMT2AOPRM1
SCHEMBL7443237 0.63 POLB (0.70) POLBPLD1MEN1CYP1A2KMT2A
SCHEMBL10349652 0.63 PDE10A (0.40) MEN1KMT2ACYP2D6DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 — — EP disclosed
EP-0765320-B1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER (US) 2001-10-10 — — EP disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 — — EP disclosed
EP-0765320-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-04-02 — — EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 — — WO disclosed
WO-1995034555-A1 BENZIMIDAZOLONE DERIVATIVES WITH CENTRAL DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1995-12-21 — — WO disclosed
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